5WSR

Crystal structure of T-Hg-T pair containing DNA duplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	42.524, 42.524, 25.027
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.569 - 1.500
R-factor	0.1691
Rwork	0.168
R-free	0.18780
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.586
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELXDE
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.500
Number of reflections	3784
<I/σ(I)>	17.6
Completeness [%]	95.0
Redundancy	20.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	10% v/v MPD